ethyl 4-[7-oxidanyl-4-oxidanylidene-8-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate

Systemtic Name: ethyl 4-[7-oxidanyl-4-oxidanylidene-8-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]chromen-3-yl]oxybenzoate Openeye Name: ethyl 4-[8-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-4-oxo-chromen-3-yl]oxybenzoate CAS Name: 4-[[7-hydroxy-4-oxo-8-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-3-yl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[8-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-4-oxochromen-3-yl]oxybenzoate Traditional Name: 4-[8-[(4-benzylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-4-keto-chromen-3-yl]oxybenzoic acid ethyl ester Formula: C31H32NO6+ MolecularWeight: 514.58888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCC(CC4)CC5=CC=CC=C5)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCC(CC4)CC5=CC=CC=C5)O

InChI

InChI=1S/C31H31NO6/c1-2-36-31(35)23-8-10-24(11-9-23)38-28-20-37-30-25(29(28)34)12-13-27(33)26(30)19-32-16-14-22(15-17-32)18-21-6-4-3-5-7-21/h3-13,20,22,33H,2,14-19H2,1H3/p+1